N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine

C81H50N2 — CID 153308694

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine (PubChem CID 153308694) has the molecular formula C81H50N2 and a molecular weight of 1051.31 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine.

Molecular Properties

• Compound Name: N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
• PubChem CID: 153308694
• Molecular Formula: C81H50N2
• Molecular Weight: 1051.31 g/mol
• Exact Mass: 1050.40
• IUPAC Name: N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccc6c7c(cccc57)C65c6cccc7cccc(c67)Cc6cccc7cccc5c67)cc4)ccc32)cc1
• InChI: InChI=1S/C81H50N2/c1-2-24-56(25-3-1)82-72-38-11-7-28-60(72)63-49-53(42-46-74(63)82)50-40-43-57(44-41-50)83(75-39-17-37-70-79(75)61-29-6-10-33-66(61)80(70)64-31-8-4-26-58(64)59-27-5-9-32-65(59)80)73-47-45-71-78-62(73)30-16-36-69(78)81(71)67-34-14-20-51-18-12-22-54(76(51)67)48-55-23-13-19-52-21-15-35-68(81)77(52)55/h1-47,49H,48H2
• InChIKey: DFGNVRNYVYERDH-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.31
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?

The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine (CID 153308694) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine.

What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?

The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccc6c7c(cccc57)C65c6cccc7cccc(c67)Cc6cccc7cccc5c67)cc4)ccc32)cc1.

What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?

The InChIKey is DFGNVRNYVYERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N2/c1-2-24-56(25-3-1)82-72-38-11-7-28-60(72)63-49-53(42-46-74(63)82)50-40-43-57(44-41-50)83(75-39-17-37-70-79(75)61-29-6-10-33-66(61)80(70)64-31-8-4-26-58(64)59-27-5-9-32-65(59)80)73-47-45-71-78-62(73)30-16-36-69(78)81(71)67-34-14-20-51-18-12-22-54(76(51)67)48-55-23-13-19-52-21-15-35-68(81)77(52)55/h1-47,49H,48H2.

What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine has a molecular weight of 1051.31 g/mol, XLogP of 20.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine is sourced from PubChem (CID 153308694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).