N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C93H62N2 — CID 167214987

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C2(c1ccccc1)c1ccc2c(c1)c1cc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C93H62N2/c1-5-25-63(26-6-1)91(64-27-7-2-8-28-64)81-39-19-15-37-75(81)77-53-51-69(59-87(77)91)94(70-52-54-78-76-38-18-24-44-86(76)93(88(78)60-70)84-42-22-16-35-73(84)74-36-17-23-43-85(74)93)68-49-45-61(46-50-68)62-47-55-89-79(57-62)80-58-66(48-56-90(80)95(89)67-31-11-4-12-32-67)92(65-29-9-3-10-30-65)82-40-20-13-33-71(82)72-34-14-21-41-83(72)92/h1-13,15-33,35-60H,14,34H2
InChIKeyALKGRSIFOJLDNF-UHFFFAOYSA-N
MW1207.53 g/mol
LogP23.08
Rot. Bonds9

About N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167214987) has the molecular formula C93H62N2 and a molecular weight of 1207.53 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID167214987
Molecular FormulaC93H62N2
Molecular Weight1207.53 g/mol
Exact Mass1206.49
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C2(c1ccccc1)c1ccc2c(c1)c1cc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C93H62N2/c1-5-25-63(26-6-1)91(64-27-7-2-8-28-64)81-39-19-15-37-75(81)77-53-51-69(59-87(77)91)94(70-52-54-78-76-38-18-24-44-86(76)93(88(78)60-70)84-42-22-16-35-73(84)74-36-17-23-43-85(74)93)68-49-45-61(46-50-68)62-47-55-89-79(57-62)80-58-66(48-56-90(80)95(89)67-31-11-4-12-32-67)92(65-29-9-3-10-30-65)82-40-20-13-33-71(82)72-34-14-21-41-83(72)92/h1-13,15-33,35-60H,14,34H2
InChIKeyALKGRSIFOJLDNF-UHFFFAOYSA-N
XLogP23.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms95
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.53
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 167214987) is N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is C1=CC2=C(CC1)c1ccccc1C2(c1ccccc1)c1ccc2c(c1)c1cc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ALKGRSIFOJLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H62N2/c1-5-25-63(26-6-1)91(64-27-7-2-8-28-64)81-39-19-15-37-75(81)77-53-51-69(59-87(77)91)94(70-52-54-78-76-38-18-24-44-86(76)93(88(78)60-70)84-42-22-16-35-73(84)74-36-17-23-43-85(74)93)68-49-45-61(46-50-68)62-47-55-89-79(57-62)80-58-66(48-56-90(80)95(89)67-31-11-4-12-32-67)92(65-29-9-3-10-30-65)82-40-20-13-33-71(82)72-34-14-21-41-83(72)92/h1-13,15-33,35-60H,14,34H2.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1207.53 g/mol, XLogP of 23.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167214987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).