4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline

C123H93Br3N4 — CID 59561633

IUPAC4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(c5ccc(N(c6ccc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)cc6)c6ccc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C123H93Br3N4/c1-118(2,3)76-34-52-91(53-35-76)128-112-64-46-82(70-100(112)103-73-85(124)49-67-115(103)128)121(106-28-16-10-22-94(106)95-23-11-17-29-107(95)121)79-40-58-88(59-41-79)127(89-60-42-80(43-61-89)122(108-30-18-12-24-96(108)97-25-13-19-31-109(97)122)83-47-65-113-101(71-83)104-74-86(125)50-68-116(104)129(113)92-54-36-77(37-55-92)119(4,5)6)90-62-44-81(45-63-90)123(110-32-20-14-26-98(110)99-27-15-21-33-111(99)123)84-48-66-114-102(72-84)105-75-87(126)51-69-117(105)130(114)93-56-38-78(39-57-93)120(7,8)9/h10-75H,1-9H3
InChIKeyQTSPJAGIUSQDGP-UHFFFAOYSA-N
MW1866.84 g/mol
LogP33.72
Rot. Bonds12

About 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline

4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline (PubChem CID 59561633) has the molecular formula C123H93Br3N4 and a molecular weight of 1866.84 g/mol. Its IUPAC name is 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline
PubChem CID59561633
Molecular FormulaC123H93Br3N4
Molecular Weight1866.84 g/mol
Exact Mass1862.50
IUPAC Name4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(c5ccc(N(c6ccc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)cc6)c6ccc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C123H93Br3N4/c1-118(2,3)76-34-52-91(53-35-76)128-112-64-46-82(70-100(112)103-73-85(124)49-67-115(103)128)121(106-28-16-10-22-94(106)95-23-11-17-29-107(95)121)79-40-58-88(59-41-79)127(89-60-42-80(43-61-89)122(108-30-18-12-24-96(108)97-25-13-19-31-109(97)122)83-47-65-113-101(71-83)104-74-86(125)50-68-116(104)129(113)92-54-36-77(37-55-92)119(4,5)6)90-62-44-81(45-63-90)123(110-32-20-14-26-98(110)99-27-15-21-33-111(99)123)84-48-66-114-102(72-84)105-75-87(126)51-69-117(105)130(114)93-56-38-78(39-57-93)120(7,8)9/h10-75H,1-9H3
InChIKeyQTSPJAGIUSQDGP-UHFFFAOYSA-N
XLogP33.72
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001866.84
LogP ≤ 533.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The IUPAC name of 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline (CID 59561633) is 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The canonical SMILES for 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline is CC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(c5ccc(N(c6ccc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)cc6)c6ccc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The InChIKey is QTSPJAGIUSQDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H93Br3N4/c1-118(2,3)76-34-52-91(53-35-76)128-112-64-46-82(70-100(112)103-73-85(124)49-67-115(103)128)121(106-28-16-10-22-94(106)95-23-11-17-29-107(95)121)79-40-58-88(59-41-79)127(89-60-42-80(43-61-89)122(108-30-18-12-24-96(108)97-25-13-19-31-109(97)122)83-47-65-113-101(71-83)104-74-86(125)50-68-116(104)129(113)92-54-36-77(37-55-92)119(4,5)6)90-62-44-81(45-63-90)123(110-32-20-14-26-98(110)99-27-15-21-33-111(99)123)84-48-66-114-102(72-84)105-75-87(126)51-69-117(105)130(114)93-56-38-78(39-57-93)120(7,8)9/h10-75H,1-9H3.
What are the key properties of 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline has a molecular weight of 1866.84 g/mol, XLogP of 33.72, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-N,N-bis[4-[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 59561633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).