N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine

C122H81N3O — CID 167117957

About N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine

N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 167117957) has the molecular formula C122H81N3O and a molecular weight of 1605.01 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 167117957
• Molecular Formula: C122H81N3O
• Molecular Weight: 1605.01 g/mol
• Exact Mass: 1603.64
• IUPAC Name: N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1ccc1c2-c2ccccc2C12c1ccccc1-c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c(c3-4)-c3ccc(-n4c6ccccc6c6cc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7ccccc78)ccc64)cc3C5(C)C)cc12
• InChI: InChI=1S/C122H81N3O/c1-119(2)102-64-66-104-116(114(102)94-62-57-84(72-106(94)119)123(80-31-12-7-13-32-80)81-53-47-76(48-54-81)74-27-8-5-9-28-74)93-38-17-23-43-101(93)122(104)100-42-22-16-35-88(100)89-60-51-78(69-108(89)122)79-52-61-96-109(70-79)121(98-40-20-14-33-86(98)87-34-15-21-41-99(87)121)105-67-65-103-115(117(96)105)95-63-58-85(73-107(95)120(103,3)4)125-110-44-24-18-36-90(110)97-71-83(59-68-111(97)125)124(82-55-49-77(50-56-82)75-29-10-6-11-30-75)112-45-26-39-92-91-37-19-25-46-113(91)126-118(92)112/h5-73H,1-4H3
• InChIKey: HAMAJDWZQQLHNY-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 24.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1605.01
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The IUPAC name of N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine (CID 167117957) is N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The canonical SMILES for N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1ccc1c2-c2ccccc2C12c1ccccc1-c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c(c3-4)-c3ccc(-n4c6ccccc6c6cc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7ccccc78)ccc64)cc3C5(C)C)cc12.

What is the InChIKey of N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The InChIKey is HAMAJDWZQQLHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H81N3O/c1-119(2)102-64-66-104-116(114(102)94-62-57-84(72-106(94)119)123(80-31-12-7-13-32-80)81-53-47-76(48-54-81)74-27-8-5-9-28-74)93-38-17-23-43-101(93)122(104)100-42-22-16-35-88(100)89-60-51-78(69-108(89)122)79-52-61-96-109(70-79)121(98-40-20-14-33-86(98)87-34-15-21-41-99(87)121)105-67-65-103-115(117(96)105)95-63-58-85(73-107(95)120(103,3)4)125-110-44-24-18-36-90(110)97-71-83(59-68-111(97)125)124(82-55-49-77(50-56-82)75-29-10-6-11-30-75)112-45-26-39-92-91-37-19-25-46-113(91)126-118(92)112/h5-73H,1-4H3.

What are the key properties of N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine?

N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 1605.01 g/mol, XLogP of 31.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167117957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).