N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine

C69H58N2 — CID 155472350

IUPACN-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C69H58N2/c1-5-15-47-25-41-67-62(43-47)63-44-48(16-6-2)26-42-68(63)71(67)57-37-33-53(34-38-57)51-29-27-50(28-30-51)52-31-35-56(36-32-52)70(58-39-40-61-60-22-10-12-23-64(60)69(3,4)65(61)46-58)66-24-13-11-21-59(66)55-20-14-19-54(45-55)49-17-8-7-9-18-49/h7-14,17-46H,5-6,15-16H2,1-4H3
InChIKeyDWBBMSJGRHPBRL-UHFFFAOYSA-N
MW915.24 g/mol
LogP19.13
Rot. Bonds12

About N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine

N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 155472350) has the molecular formula C69H58N2 and a molecular weight of 915.24 g/mol. Its IUPAC name is N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID155472350
Molecular FormulaC69H58N2
Molecular Weight915.24 g/mol
Exact Mass914.46
IUPAC NameN-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C69H58N2/c1-5-15-47-25-41-67-62(43-47)63-44-48(16-6-2)26-42-68(63)71(67)57-37-33-53(34-38-57)51-29-27-50(28-30-51)52-31-35-56(36-32-52)70(58-39-40-61-60-22-10-12-23-64(60)69(3,4)65(61)46-58)66-24-13-11-21-59(66)55-20-14-19-54(45-55)49-17-8-7-9-18-49/h7-14,17-46H,5-6,15-16H2,1-4H3
InChIKeyDWBBMSJGRHPBRL-UHFFFAOYSA-N
XLogP19.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.24
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 157091786
N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155472148
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472317
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660654
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118087782
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 155472350) is N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine is CCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is DWBBMSJGRHPBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58N2/c1-5-15-47-25-41-67-62(43-47)63-44-48(16-6-2)26-42-68(63)71(67)57-37-33-53(34-38-57)51-29-27-50(28-30-51)52-31-35-56(36-32-52)70(58-39-40-61-60-22-10-12-23-64(60)69(3,4)65(61)46-58)66-24-13-11-21-59(66)55-20-14-19-54(45-55)49-17-8-7-9-18-49/h7-14,17-46H,5-6,15-16H2,1-4H3.
What are the key properties of N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?
N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 915.24 g/mol, XLogP of 19.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155472350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).