24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

C67H46N4 — CID 170651791

About 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (PubChem CID 170651791) has the molecular formula C67H46N4 and a molecular weight of 907.13 g/mol. Its IUPAC name is 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

Molecular Properties

• Compound Name: 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
• PubChem CID: 170651791
• Molecular Formula: C67H46N4
• Molecular Weight: 907.13 g/mol
• Exact Mass: 906.37
• IUPAC Name: 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
• SMILES: CC1(C)c2ccc3cc2-c2cc(ccc21)N(c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12)c1cccc(c1)-c1cccc(c1)N3c1ccc2c(c1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C67H46N4/c1-67(2)60-33-29-49-39-56(60)57-40-50(30-34-61(57)67)69(52-32-36-66-59(42-52)55-25-9-11-27-64(55)71(66)62-28-14-16-43-15-6-7-23-53(43)62)48-22-13-18-45(38-48)44-17-12-21-47(37-44)68(49)51-31-35-65-58(41-51)54-24-8-10-26-63(54)70(65)46-19-4-3-5-20-46/h3-42H,1-2H3
• InChIKey: BMNRFBJKNVJSIO-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.13
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

The IUPAC name of 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (CID 170651791) is 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

What is the SMILES notation for 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

The canonical SMILES for 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is CC1(C)c2ccc3cc2-c2cc(ccc21)N(c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12)c1cccc(c1)-c1cccc(c1)N3c1ccc2c(c1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

The InChIKey is BMNRFBJKNVJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N4/c1-67(2)60-33-29-49-39-56(60)57-40-50(30-34-61(57)67)69(52-32-36-66-59(42-52)55-25-9-11-27-64(55)71(66)62-28-14-16-43-15-6-7-23-53(43)62)48-22-13-18-45(38-48)44-17-12-21-47(37-44)68(49)51-31-35-65-58(41-51)54-24-8-10-26-63(54)70(65)46-19-4-3-5-20-46/h3-42H,1-2H3.

What are the key properties of 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene has a molecular weight of 907.13 g/mol, XLogP of 18.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is sourced from PubChem (CID 170651791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).