21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

C200H121N7 — CID 160963746

About 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (PubChem CID 160963746) has the molecular formula C200H121N7 and a molecular weight of 2622.22 g/mol. Its IUPAC name is 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

Molecular Properties

• Compound Name: 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• PubChem CID: 160963746
• Molecular Formula: C200H121N7
• Molecular Weight: 2622.22 g/mol
• Exact Mass: 2619.97
• IUPAC Name: 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6nc7ccccc7c7cc8c(cc67)-c6ccccc6C86c7ccccc7-c7ccccc76)c5)c4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)nc4ccccc4c3cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)nc4ccccc4c3cc21
• InChI: InChI=1S/C74H45N3.C68H41N3.C58H35N/c1-2-21-51(22-3-1)76-69-34-14-8-28-57(69)61-42-48(36-38-71(61)76)49-37-39-72-62(43-49)58-29-9-15-35-70(58)77(72)52-23-17-19-47(41-52)46-18-16-20-50(40-46)73-63-44-60-55-26-6-12-32-66(55)74(67(60)45-59(63)56-27-7-13-33-68(56)75-73)64-30-10-4-24-53(64)54-25-5-11-31-65(54)74;1-9-25-58-47(17-1)48-18-2-10-26-59(48)68(58)60-27-11-3-19-49(60)56-40-57-55(41-61(56)68)50-20-4-12-28-62(50)69-67(57)43-35-33-42(34-36-43)44-37-45(70-63-29-13-5-21-51(63)52-22-6-14-30-64(52)70)39-46(38-44)71-65-31-15-7-23-53(65)54-24-8-16-32-66(54)71;1-2-12-39-31-41(26-23-36(39)11-1)44-30-29-42-32-40(27-28-43(42)33-44)37-21-24-38(25-22-37)57-51-34-50-47-15-5-9-19-54(47)58(55(50)35-49(51)48-16-6-10-20-56(48)59-57)52-17-7-3-13-45(52)46-14-4-8-18-53(46)58/h1-45H;1-41H;1-35H
• InChIKey: SXIMTACDGFGWPX-UHFFFAOYSA-N
• XLogP: 51.23
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2622.22
LogP ≤ 5	51.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The IUPAC name of 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (CID 160963746) is 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

What is the SMILES notation for 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The canonical SMILES for 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6nc7ccccc7c7cc8c(cc67)-c6ccccc6C86c7ccccc7-c7ccccc76)c5)c4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)nc4ccccc4c3cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)nc4ccccc4c3cc21.

What is the InChIKey of 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The InChIKey is SXIMTACDGFGWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45N3.C68H41N3.C58H35N/c1-2-21-51(22-3-1)76-69-34-14-8-28-57(69)61-42-48(36-38-71(61)76)49-37-39-72-62(43-49)58-29-9-15-35-70(58)77(72)52-23-17-19-47(41-52)46-18-16-20-50(40-46)73-63-44-60-55-26-6-12-32-66(55)74(67(60)45-59(63)56-27-7-13-33-68(56)75-73)64-30-10-4-24-53(64)54-25-5-11-31-65(54)74;1-9-25-58-47(17-1)48-18-2-10-26-59(48)68(58)60-27-11-3-19-49(60)56-40-57-55(41-61(56)68)50-20-4-12-28-62(50)69-67(57)43-35-33-42(34-36-43)44-37-45(70-63-29-13-5-21-51(63)52-22-6-14-30-64(52)70)39-46(38-44)71-65-31-15-7-23-53(65)54-24-8-16-32-66(54)71;1-2-12-39-31-41(26-23-36(39)11-1)44-30-29-42-32-40(27-28-43(42)33-44)37-21-24-38(25-22-37)57-51-34-50-47-15-5-9-19-54(47)58(55(50)35-49(51)48-16-6-10-20-56(48)59-57)52-17-7-3-13-45(52)46-14-4-8-18-53(46)58/h1-45H;1-41H;1-35H.

What are the key properties of 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] has a molecular weight of 2622.22 g/mol, XLogP of 51.23, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is sourced from PubChem (CID 160963746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).