9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine

C117H88N6 — CID 156568063

About 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine

9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine (PubChem CID 156568063) has the molecular formula C117H88N6 and a molecular weight of 1578.03 g/mol. Its IUPAC name is 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
• PubChem CID: 156568063
• Molecular Formula: C117H88N6
• Molecular Weight: 1578.03 g/mol
• Exact Mass: 1576.71
• IUPAC Name: 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7ccc(N(c8ccc9c(c8)-c8ccccc8C98C9CC%10CC(C9)CC8C%10)c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7n(-c7ccccc7)c6c5)cc4)cc32)cc1
• InChI: InChI=1S/C117H88N6/c1-4-20-80(21-5-1)121-106-33-17-12-28-92(106)96-48-41-87(66-111(96)121)118(84-45-52-105-100(64-84)91-27-11-16-32-103(91)117(105)79-60-73-59-76-62-114(117)115(76,69-73)70-79)86-46-53-109-101(65-86)94-30-14-19-35-108(94)120(109)83-39-36-74(37-40-83)75-38-47-95-98-50-43-89(68-113(98)123(110(95)61-75)82-24-8-3-9-25-82)119(88-42-49-97-93-29-13-18-34-107(93)122(112(97)67-88)81-22-6-2-7-23-81)85-44-51-104-99(63-85)90-26-10-15-31-102(90)116(104)77-55-71-54-72(57-77)58-78(116)56-71/h1-53,61,63-68,71-73,76-79,114H,54-60,62,69-70H2
• InChIKey: GKXBRVOFYSTMJH-UHFFFAOYSA-N
• XLogP: 30.13
• TPSA: 26.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1578.03
LogP ≤ 5	30.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?

The IUPAC name of 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine (CID 156568063) is 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine.

What is the SMILES notation for 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?

The canonical SMILES for 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7ccc(N(c8ccc9c(c8)-c8ccccc8C98C9CC%10CC(C9)CC8C%10)c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7n(-c7ccccc7)c6c5)cc4)cc32)cc1.

What is the InChIKey of 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?

The InChIKey is GKXBRVOFYSTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H88N6/c1-4-20-80(21-5-1)121-106-33-17-12-28-92(106)96-48-41-87(66-111(96)121)118(84-45-52-105-100(64-84)91-27-11-16-32-103(91)117(105)79-60-73-59-76-62-114(117)115(76,69-73)70-79)86-46-53-109-101(65-86)94-30-14-19-35-108(94)120(109)83-39-36-74(37-40-83)75-38-47-95-98-50-43-89(68-113(98)123(110(95)61-75)82-24-8-3-9-25-82)119(88-42-49-97-93-29-13-18-34-107(93)122(112(97)67-88)81-22-6-2-7-23-81)85-44-51-104-99(63-85)90-26-10-15-31-102(90)116(104)77-55-71-54-72(57-77)58-78(116)56-71/h1-53,61,63-68,71-73,76-79,114H,54-60,62,69-70H2.

What are the key properties of 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?

9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine has a molecular weight of 1578.03 g/mol, XLogP of 30.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 156568063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).